![(E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one structure](/static/products/844/844860-81-7.png)
(E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
TL;DR: (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 844860-81-7) is a chemical compound with molecular formula C28H26N6O and molecular weight 462.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[(E)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
Also Known As: (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one, 3-(2-Cyclohex-1-enyl-ethyl)-2-methyl-11-{[1-phenyl-meth-(E)-ylidene]-amino}-3,11-dihydro-1,3,5,10,11- pentaaza-benzo[b]fluoren-4-one, 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-methyl-11-{[(E)-phenylmethylidene]amino}-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one
| Molecular Formula | C28H26N6O |
|---|---|
| Molecular Weight | 462.22 g/mol |
| LogP | 5.37552 |
| Topological Polar Surface Area | 77.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 462.2168 |
| Heavy Atoms | 35 |
| Complexity | 1676.9923 |
Chemical Identifiers
| CAS Number | 844860-81-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=NC4=CC=CC=C4N=C3N2/N=C/C5=CC=CC=C5)C(=O)N1CCC6=CCCCC6 |
Product Overview
(E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one (CAS 844860-81-7), with molecular formula C28H26N6O and molecular weight 462.22 g/mol. IUPAC: 17-[(E)-benzylideneamino]-13-[2-(cyclohexen-1-yl)ethyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one.
Chemical Property Profile of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
Property Insights of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one
The XLogP value of 5.37552 indicates that (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one. Following Lipinski's Rule of Five, (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The CAS number of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 844860-81-7.
What is the molecular formula of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular formula of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is C28H26N6O.
What is the molecular weight of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
The molecular weight of (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one is 462.22 g/mol.
Where can I buy (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
You can request a quote for (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-11-(benzylideneamino)-3-(2-(cyclohex-1-en-1-yl)ethyl)-2-methyl-3H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4(11H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.